General Information of the Compound
| Compound ID |
CP0543571
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxy-2-phenylmethoxyphenyl)imidazo[1,2-a]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H34N4O2
|
||||||||||||||||||
| Molecular Weight |
482.628
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-c2cn3ccc(cc3n2)N2CCN(CC2)C2CCCC2)c(OCc2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H34N4O2/c1-35-26-11-12-27(29(20-26)36-22-23-7-3-2-4-8-23)28-21-34-14-13-25(19-30(34)31-28)33-17-15-32(16-18-33)24-9-5-6-10-24/h2-4,7-8,11-14,19-21,24H,5-6,9-10,15-18,22H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYTJQPKNHIODBY-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02160, Toll-like receptor 7
Protein ID: PT01922, Toll-like receptor 9